1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one

C8H17N3O — CID 144817482

IUPAC1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one
SMILESCN1CCN(CN)C(=O)C1(C)C
InChIInChI=1S/C8H17N3O/c1-8(2)7(12)11(6-9)5-4-10(8)3/h4-6,9H2,1-3H3
InChIKeyAHCJTRAJZYOVIG-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.54
Rot. Bonds1

About 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one

1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one (PubChem CID 144817482) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one
PubChem CID144817482
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one
SMILESCN1CCN(CN)C(=O)C1(C)C
InChIInChI=1S/C8H17N3O/c1-8(2)7(12)11(6-9)5-4-10(8)3/h4-6,9H2,1-3H3
InChIKeyAHCJTRAJZYOVIG-UHFFFAOYSA-N
XLogP-0.54
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-methylpiperazin-2-one
CID 115102213
1-(aminomethyl)azetidin-2-one
CID 70516989
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 82505874
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
1,4-bis(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 18003347
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one
CID 59908451
4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one
CID 80597971
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
1-(2-bromoethyl)-3,3-dimethylpyrrolidin-2-one
CID 130581654

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one?
The IUPAC name of 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one (CID 144817482) is 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one.
What is the SMILES notation for 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one?
The canonical SMILES for 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one is CN1CCN(CN)C(=O)C1(C)C.
What is the InChIKey of 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one?
The InChIKey is AHCJTRAJZYOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2)7(12)11(6-9)5-4-10(8)3/h4-6,9H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one?
1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3,4-trimethylpiperazin-2-one is sourced from PubChem (CID 144817482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).